4-iodo-2,3,6-trimethyl-phenol | 1403775-50-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-iodo-2,3,6-trimethyl-phenol
• 英文别名: 4-Iodo-2,3,6-trimethylphenol
• CAS: 1403775-50-7
• 化学式: C₉H₁₁IO
• 分子量: 262.09
• InChiKey: DPHASYZTLLKOTA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-iodo-2,3,6-trimethyl-phenol 、 碘甲烷 在 potassium carbonate 作用下， 生成 1-iodo-4-methoxy-2,3,5-trimethylbenzene
  参考文献：
  名称：

  从儿茶酚-生育酚到儿茶酚-对苯二酚多酚抗氧化剂混合物

  摘要：

  AbstractMultidefence antioxidants represent a valuable solution for the protection against oxidative stress. From the planned synthesis of a catechol‐tocopherol hybrid, we isolated a catechol‐hydroquinone hybrid through a BBr3‐mediated benzochromene‐fluoren‐1‐ol transposition. The compound prepared showed a remarkable chain‐breaking antioxidant in the catechol portion, while the very sensitive hydroquinone moiety revealed to be an efficient generator of hydroperoxyl radicals.

  DOI：

  10.1002/hc.21466
• 作为产物：
  描述：

  2,3,6-三甲基苯酚 在 碘 作用下， 以 aq. buffer 为溶剂， 生成 4-iodo-2,3,6-trimethyl-phenol
  参考文献：
  名称：

  Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices

  摘要：

  Iodination reaction followed by conversion of iodine-substituted methylphenols to the corresponding trifluoroacetates was suggested for improving the sensitivity of the gas-chromatographic determination of phenol and its methyl-substituted derivatives (al isomers of mono-and diethylphenols, 2,3,5-, 2,3,6-, and 3,4,5-trimethylphenols) in aqueous media. Acylation products of iodo methylphenols (104 compounds) were identified by linear-logarithmic retention indices on a standard nonpolar polydimethylsiloxane stationary phase, and the pattern of their variation with the number and nature of substituents were characterized. A procedure for identification of methyl-substituted phenols in water in their gas-chromatographic determination with an electron-capture detector was developed.

  DOI：

  10.1134/s1070427212090108